benzenesulfonohydrazide

• ChemBase ID: 79208
• Molecular Formular: C6H8N2O2S
• Molecular Mass: 172.20492
• Monoisotopic Mass: 172.03064851
• SMILES: S(=O)(=O)(c1ccccc1)NN
• Canonical SMILES: NNS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
• InChIKey: VJRITMATACIYAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenesulfonohydrazide
• IUPAC Traditional name: benzenesulfonic acid hydrazide
• Synonyms: benzene-1-sulphonohydrazide; Benzenesulfonohydrazide; BSH; Benzenesulfonylhydrazine; Porofor BSH; Benzenesulfonyl hydrazide; BENZENE SULFONYL HYDRAZIDE; 发乳剂 BSH; 发泡剂 BSH; 苯磺酰肼

Database IDs

• CAS Number: 80-17-1
• EC Number: 201-255-2
• MDL Number: MFCD00007583
• Beilstein Number: 640079
• Merck Index: 147598
• PubChem SID: 24891736; 24847730; 162043971
• PubChem CID: 65723

CALCULATED PROPERTIES

• Acid pKa: 10.026699
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.28284007
• LogD (pH = 7.4): 0.28999847
• Log P: 0.28280088
• Molar Refractivity: 42.7 cm^3
• Polarizability: 17.054996 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-103 °C(lit.); 101-105°C

Safety Information

• RTECS: DB6888000
• European Hazard Symbols: Flammable (F); X
• UN Number: 3226; UN3226
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11; 11-22-44
• Safety Statements: 15-16-22-24/25; 7-16-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H242; H242-H228-H301
• GHS Precautionary statements: P210-P241-P301+P310-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3226 4.1

Product Information

• Purity: ≥90% (NT); 98%
• Grade: technical
• Linear Formula: C6H5SO2NHNH2

DETAILS

MP Biomedicals - 05215700

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B3809

Packaging
100 g in glass bottle
25 g in amber poly

Sigma Aldrich - 12650

Other Notes
Reagent for the conversion of carbonyl compounds into vinylsilanes via the hydrazones1,2

REFERENCES

• Reagent for the preparation of benzenesulfonylhydrazones; compare p-Toluenesulfonyl hydrazide, A13529.